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Details of Docosane, n-

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Role Analyte
nameDocosane, n-
MPIMP IDA220001
isotopomerambient
formulaC22H46
molecular mass310.601
monoisotopic mass310.35995
InChIInChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyHOWGUJZVBDQJKV-UHFFFAOYSA-N
substructure TMS0
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)2,200
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27abd59c73-3ca6-4508-b950-18336db59be3%27)

Synonyms of Docosane, n-

propertyvalue
BRENDA80257
CAS629-97-0
ChEBI IDChEBI:46050
ChEBI ontologyis a alkane
ChemSpider ID11899
Method [J Kopka]non-derivatized
PubChem CID12405
PubChem SID92297549
synonymCH3-[CH2]20-CH3
synonymdocosane
13 synonym(s)

Metabolite mapped to Docosane, n-

Reference spectra of Docosane, n-

replicaentry datedetectionmethodspecies
15/1/2001 12:00:00 AM M[EIGTMS]Standard Addition
116/27/2008 2:33:57 PM VAR5na
35/12/2005 12:00:00 AM M[NIST] 
45/1/2003 12:00:00 AM M[2]Spathodea campanulata P. Beauv.
51/25/2005 12:00:00 AM M[MOR] 
62/22/2005 12:00:00 AM M[STR] 
126/27/2008 2:29:25 PM VAR5na
79/1/2001 12:00:00 AM M[2]Standard Addition
1611/3/2010 4:21:15 PM Schomburg_GC_2010 
136/27/2008 2:24:36 PM VAR5na
15 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Strehmel N., Hummel J.
service last updated 17/02/2017 © 2008-2014 Golm Metabolome Database - All rights reserved
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